SCHEMBL9152012

SCHEMBL9152012

C=C(C)C(=O)OCCCCCCCCCCCn1c(C)cc2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.52
KDM4E B2RXH2 3/20 0.52
TSHR P16473 4/20 0.47
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
HTT P42858 4/20 0.46
MAPT P10636 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
ALDH1A1 P00352 2/20 0.46
NPC1 O15118 1/20 0.46
CYP1A2 P05177 1/20 0.46
HSP90AA1 P07900 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
PKM P14618 1/20 0.46
CYP2C19 P33261 1/20 0.46
RAB9A P51151 1/20 0.46
POLB P06746 2/20 0.43
APEX1 P27695 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9484194 0.81 FABP4 (0.51) TSHRHTTPOLBAPEX1TDP1
SCHEMBL5710997 0.77 TSHR (0.53) TP53TSHRHTTSMN1; SMN2ALDH1A1
SCHEMBL27151560 0.76 FABP4 (0.51) KDM4ETSHRMEN1KMT2AHTT
SCHEMBL11156396 0.75 CNR2 (0.58) TP53KDM4ETSHRMEN1KMT2A
SCHEMBL24205261 0.75 TSHR (0.44) KDM4ETSHRKMT2AHTTMAPT
SCHEMBL9275476 0.73 MEN1 (0.56) TP53KDM4ETSHRMEN1KMT2A
SCHEMBL11154088 0.73 TP53 (0.56) TP53KDM4ETSHRMEN1KMT2A
SCHEMBL11607968 0.73 MEN1 (0.56) TP53KDM4ETSHRMEN1KMT2A
SCHEMBL31022117 0.73 MEN1 (0.56) TP53KDM4ETSHRMEN1KMT2A
SCHEMBL29940628 0.73 MEN1 (0.56) TP53KDM4ETSHRMEN1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-7082266-A None JP disclosed
JP-H0782266-A PHOTOCHROMIC COMPOUND TOKUYAMA CORP 1995-03-28 JP disclosed